1-ethenyl-2,3-dihydropyrrole

C6H9N — CID 18182996

IUPAC1-ethenyl-2,3-dihydropyrrole
SMILESC=CN1C=CCC1
InChIInChI=1S/C6H9N/c1-2-7-5-3-4-6-7/h2-3,5H,1,4,6H2
InChIKeyNLNUDODFFAWTHQ-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.35
Rot. Bonds1

About 1-ethenyl-2,3-dihydropyrrole

1-ethenyl-2,3-dihydropyrrole (PubChem CID 18182996) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 1-ethenyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-ethenyl-2,3-dihydropyrrole
PubChem CID18182996
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name1-ethenyl-2,3-dihydropyrrole
SMILESC=CN1C=CCC1
InChIInChI=1S/C6H9N/c1-2-7-5-3-4-6-7/h2-3,5H,1,4,6H2
InChIKeyNLNUDODFFAWTHQ-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethenyl-2,3-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3-dihydropyrrole?
The IUPAC name of 1-ethenyl-2,3-dihydropyrrole (CID 18182996) is 1-ethenyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-ethenyl-2,3-dihydropyrrole?
The canonical SMILES for 1-ethenyl-2,3-dihydropyrrole is C=CN1C=CCC1.
What is the InChIKey of 1-ethenyl-2,3-dihydropyrrole?
The InChIKey is NLNUDODFFAWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-7-5-3-4-6-7/h2-3,5H,1,4,6H2.
What are the key properties of 1-ethenyl-2,3-dihydropyrrole?
1-ethenyl-2,3-dihydropyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3-dihydropyrrole is sourced from PubChem (CID 18182996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).